Spektraris NMR
Bafoudiosbulbin B acetate
Common Name: Bafoudiosbulbin B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O9/c1-11(23)31-22-4-3-21-14-6-13(29-17(14)24)7-16(21)20(22,10-28-18(21)25)8-15(30-19(22)26)12-2-5-27-9-12/h2,5,9,13-16H,3-4,6-8,10H2,1H3/t13-,14-,15+,16+,20-,21+,22-/m1/s1
InChIKey: InChIKey=AZVVTAGYDYKZNJ-XIQOZOLGSA-N
Formula: C22H22O9
Molecular Weight: 430.405531
Exact Mass: 430.126382
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Youngsa-ad, W., Ngamrojanavanich, N., Mahidol, C., Ruchirawat, S., Prawat, H., Kittakoop, P. Planta Med (2007) 73, 1491-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 26.5 |
| 2 (CH) | 73 |
| 3 (CH2) | 26.7 |
| 4 (CH) | 44.4 |
| 5 (C) | 38.9 |
| 6 (CH2) | 25.5 |
| 7 (CH2) | 27.2 |
| 8 (C) | 79.4 |
| 9 (C) | 44.4 |
| 10 (CH) | 35.3 |
| 11 (CH2) | 30.6 |
| 12 (CH) | 70.9 |
| 13 (C) | 124.7 |
| 14 (CH) | 109 |
| 15 (CH) | 143.7 |
| 16 (CH) | 140.7 |
| 17 (C) | 166.7 |
| 18 (C) | 173.8 |
| 19 (C) | 171 |
| 20 (CH2) | 66.6 |
| 8a (C) | 169 |
| 8b (CH3) | 20.3 |
